Crystallography Open Database

Information card for entry 1507073

Preview

Coordinates	1507073.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65.1 H72 Cl O25.1
Calculated formula	C65.11 H72 Cl O25.11
Title of publication	Alkoxy-, acyloxy-, and bromomethylation of resorcinarenes.
Authors of publication	Nummelin, Sami; Falabu, Deszö; Shivanyuk, Alexander; Rissanen, Kari
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	17
Pages of publication	2869 - 2872
a	17.9079 ± 0.0004 Å
b	16.969 ± 0.0004 Å
c	22.4574 ± 0.0003 Å
α	90°
β	103.24 ± 0.001°
γ	90°
Cell volume	6642.9 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0975
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for significantly intense reflections	0.1745
Weighted residual factors for all reflections included in the refinement	0.1975
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1507073.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507073.cif
51653	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1507070, 1507071, 1507072, 1507073 via cif-deposit CGI script.	1507073.cif